Vitas-M small molecule compound

N-(3-acetylphenyl)-2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}butanamide

Catalog ID
STK921994
SMILES COc1cccc(c1)c1nc(SC(C(=O)Nc2cccc(c2)C(=O)C)CC)[nH]c(=O)c1C#N

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C24H22N4O4S MW 462.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O4S/c1-4-20(23(31)26-17-9-5-7-15(11-17)14(2)29)33-24-27-21(19(13-25)22(30)28-24)16-8-6-10-18(12-16)32-3/h5-12,20H,4H2,1-3H3,(H,26,31)(H,27,28,30)
InChIKey
UNAFKZLBLWRTQK-UHFFFAOYSA-N
Synonyms
462095-49-4
2((5CYANO4(3METHOXYPHENYL)6OXO16DIHYDROPYRIMIDIN2YL)SULFANYL)N(3ACETYLPHENYL)BUTANAMIDE
462095494
CCC(C(=O)NC1=CC=CC(=C1)C(=O)C)SC2=NC(=O)C(=C(N2)C3=CC(=CC=C3)OC)C#N
COc1cccc(c1)c1nc(SC(C(=O)Nc2cccc(c2)C(=O)C)CC)(nH)c(=O)c1C#N
InChI=1SC24H22N4O4Sc1420(23(31)261795715(1117)14(2)29)33242721(19(1325)22(30)2824)16861018(1216)323h51220H4H213H3(H2631)(H272830)
MFCD02056468
N(3acetylphenyl)2((5cyano4(3methoxyphenyl)6oxo16dihydropyrimidin2yl)sulfanyl)butanamide
N(3ACETYLPHENYL)2((5CYANO4(3METHOXYPHENYL)6OXO1HPYRIMIDIN2YL)SULFANYL)BUTANAMIDE
N(3ACETYLPHENYL)2((5CYANO6(3METHOXYPHENYL)4OXO1HPYRIMIDIN2YL)SULFANYL)BUTANAMIDE
PYRIMIDINONECONTAININGCOMPOUND14
ZINC000006016518
ZINC000006016526

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Available files

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